N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K280-0050 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C31 H30 N6 O3 S |
| Smiles: | COc1ccc(CCNC(CSc2nc3ccccc3c3nc(CCc4c[nH]c5ccccc45)nn23)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4222 |
| logD: | 4.4078 |
| logSw: | -4.3461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.232 |
| InChI Key: | HTLXQFPDMWQRIA-UHFFFAOYSA-N |